Title

Theory of radiative electron attachment to molecules: Benchmark study of CN

Authors

Authors

N. Douguet; S. F. dos Santos; M. Raoult; O. Dulieu; A. E. Orel;V. Kokoouline

Comments

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Abbreviated Journal Title

Phys. Rev. A

Keywords

INTERSTELLAR CLOUDS; CIRCUMSTELLAR ENVELOPES; ASTRONOMICAL; IDENTIFICATION; ANIONS; IONS; C4H; SPECTROSCOPY; IRC+10216; CHEMISTRY; C6H; Optics; Physics, Atomic, Molecular & Chemical

Abstract

We have developed an approach based on first principles to study the process of radiative electron attachment (REA) to linear molecules of astrophysical interest in collisions between the molecules and electrons at energies below 1 eV. The approach is based on accurate ab initio calculations of electronic bound and continuum states of the negative ion. The electronic continuum states are obtained with the complex-Kohn variational method. The benchmark calculation for the REA to the simplest negative ion CN-, which was recently observed in the interstellar medium, has produced a relatively low rate coefficient alpha(T) = 7.3 x 10(-16) cm(3)/s at T = 30 K. Moreover, our results are shown to agree well with microscopic reversibility applied on a recent photodetachment experiment on CN-. Finally, the study confirms a previous assessment that the CN- ion is unlikely be formed by REA in the interstellar medium.

Journal Title

Physical Review A

Volume

88

Issue/Number

5

Publication Date

1-1-2013

Document Type

Article

Language

English

First Page

11

WOS Identifier

WOS:000327314400010

ISSN

1050-2947

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